Ec/imidazole/cc-pvdz
2020-12-24 15:33:57 +01:00
..
imidazole.ang Fix imidazole ang 2020-11-20 09:47:54 +01:00
imidazole.fc.out Add imidazole out 2020-10-28 11:47:46 +01:00
imidazole.fci.out Update out 2020-10-29 14:57:16 +01:00
imidazole.localized.nofci.out Update outputs 2020-11-30 09:58:00 +01:00
imidazole.mo Starting imidazole localized 2020-11-20 11:00:02 +01:00
imidazole.natorb.out Update out 2020-10-29 14:57:16 +01:00
imidazole.nofci.out update output and new calculation pyridine and pyrimidine 2020-11-08 12:08:44 +01:00
imidazole.restart.nofci.out Update outputs 2020-12-24 15:33:57 +01:00
imidazole.scf.out Add imidazole out 2020-10-28 11:47:46 +01:00
imidazole.xyz Add imidazole 2020-10-28 11:11:28 +01:00
localize.sh Start localize imidazole 2020-11-19 10:56:09 +01:00
run_fci.sh Add imidazole 2020-10-28 11:11:28 +01:00
run_loc.sh Start localize imidazole 2020-11-19 10:56:09 +01:00
run_restart.sh Restart localized imidazole 2020-12-10 11:38:52 +01:00
slurm-487471.out update output and new calculation pyridine and pyrimidine 2020-11-08 12:08:44 +01:00
slurm-500149.out Update outputs 2020-12-04 11:50:04 +01:00
slurm-511939.out Update outputs 2020-12-24 15:33:57 +01:00